N-(3-ethanoylphenyl)-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(3-acetylphenyl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(3-acetylphenyl)-2-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(3-acetylphenyl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(3-acetylphenyl)-2-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]propionamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O3S/c1-19(32)22-13-8-14-23(18-22)29-26(33)20(2)35-28-30-25-16-7-6-15-24(25)27(34)31(28)17-9-12-21-10-4-3-5-11-21/h3-8,10-11,13-16,18,20H,9,12,17H2,1-2H3,(H,29,33)